2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide

C14H25N5O2 — CID 80940171

IUPAC2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCCNc1cc(N(C)CC(=O)NCCOC)nc(CC)n1
InChIInChI=1S/C14H25N5O2/c1-5-11-17-12(15-6-2)9-13(18-11)19(3)10-14(20)16-7-8-21-4/h9H,5-8,10H2,1-4H3,(H,16,20)(H,15,17,18)
InChIKeyMRWGNZNSSFPRST-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.67
Rot. Bonds9

About 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide

2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 80940171) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID80940171
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCCNc1cc(N(C)CC(=O)NCCOC)nc(CC)n1
InChIInChI=1S/C14H25N5O2/c1-5-11-17-12(15-6-2)9-13(18-11)19(3)10-14(20)16-7-8-21-4/h9H,5-8,10H2,1-4H3,(H,16,20)(H,15,17,18)
InChIKeyMRWGNZNSSFPRST-UHFFFAOYSA-N
XLogP0.67
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide
CID 80933651
N-cyclopropyl-2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80934592
N-ethyl-2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]acetamide
CID 113401806
N-(2-methoxyethyl)-2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80806380
2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80935631
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 80954748
N-cyclopropyl-2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]acetamide
CID 80941047
2-[(2-amino-2-oxoethyl)-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80934481
2-[(5-aminopyrazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80652005
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 106767470
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 55023792
N-ethyl-2-[ethyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80941432

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide (CID 80940171) is 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide is CCNc1cc(N(C)CC(=O)NCCOC)nc(CC)n1.
What is the InChIKey of 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is MRWGNZNSSFPRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-5-11-17-12(15-6-2)9-13(18-11)19(3)10-14(20)16-7-8-21-4/h9H,5-8,10H2,1-4H3,(H,16,20)(H,15,17,18).
What are the key properties of 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 295.39 g/mol, XLogP of 0.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 80940171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).